HMDB0031519
     RDKit          3D
4-Mercapto-4-methyl-2-pentanone
 20 19  0  0  0  0  0  0  0  0999 V2000
    2.9275    0.2335    0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4658    0.4343    0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0966    1.2249    1.4078 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5288   -0.3601   -0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9082   -0.0847    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7437   -0.9773   -0.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3329    1.3244   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1980   -0.5912    1.7851 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1430   -0.7797   -0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4820    0.2948    1.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3026    1.0364   -0.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7318   -0.1871   -1.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136   -1.4363   -0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4864   -2.0464   -0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7938   -0.7386   -0.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4473   -0.6601   -1.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5281    2.0597   -0.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0897    1.5980    0.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8991    1.4255   -1.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9647   -1.7701    1.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  4 12  1  0
  4 13  1  0
  6 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
M  END